(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one

C15H25N5O — CID 164631562

IUPAC(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one
SMILESCCN1CCN(C(=O)[C@H](C)N(C)Cc2cnccn2)CC1
InChIInChI=1S/C15H25N5O/c1-4-19-7-9-20(10-8-19)15(21)13(2)18(3)12-14-11-16-5-6-17-14/h5-6,11,13H,4,7-10,12H2,1-3H3/t13-/m0/s1
InChIKeyKGWSWTMJFPJDGO-ZDUSSCGKSA-N
MW291.40 g/mol
LogP0.46
Rot. Bonds5

About (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one

(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one (PubChem CID 164631562) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one
PubChem CID164631562
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one
SMILESCCN1CCN(C(=O)[C@H](C)N(C)Cc2cnccn2)CC1
InChIInChI=1S/C15H25N5O/c1-4-19-7-9-20(10-8-19)15(21)13(2)18(3)12-14-11-16-5-6-17-14/h5-6,11,13H,4,7-10,12H2,1-3H3/t13-/m0/s1
InChIKeyKGWSWTMJFPJDGO-ZDUSSCGKSA-N
XLogP0.46
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one?
The IUPAC name of (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one (CID 164631562) is (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one is CCN1CCN(C(=O)[C@H](C)N(C)Cc2cnccn2)CC1.
What is the InChIKey of (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one?
The InChIKey is KGWSWTMJFPJDGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-19-7-9-20(10-8-19)15(21)13(2)18(3)12-14-11-16-5-6-17-14/h5-6,11,13H,4,7-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one?
(2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one has a molecular weight of 291.40 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethylpiperazin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 164631562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).